Thanks. Is it possible to dump the parameters in the tpr file to a mdp file?
On Tue, Sep 17, 2013 at 3:20 PM, Mark Abraham <mark.j.abra...@gmail.com>wrote: > mdrun -nsteps in 4.6 overrides the number of steps in the .tpr > > Mark > > On Tue, Sep 17, 2013 at 8:55 PM, Guanglei Cui > <amber.mail.arch...@gmail.com> wrote: > > Dear GMX users, > > > > I'm new to Gromacs. So apologies if this question is too simple. > > > > I downloaded top/tpr files from the supplementary material of a published > > paper. The nsteps set in the tpr file is 100ns. I wish to do a small test > > run. Is there any way I can modify that? I've tried to create a mdp file > > that best matches the parameters found through gmxdump, but it gives me a > > lot of LINCS error. I can upload the mdp file and gmxdump file if you are > > kind to help. Thanks in advance. > > > > Best regards, > > -- > > Guanglei Cui > > -- > > gmx-users mailing list gmx-users@gromacs.org > > http://lists.gromacs.org/mailman/listinfo/gmx-users > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > > * Please don't post (un)subscribe requests to the list. Use the > > www interface or send it to gmx-users-requ...@gromacs.org. > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- Guanglei Cui -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
